Chemical ID: 5101022

C[N+](C)(C)CCOC(=O)C(c1ccccc1)(c2ccccc2)O
Chemical ID:
5101022
Name [?]:
2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)CCOC(=O)C(c1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C19H24NO3/c1-20(2,3)14-15-23-18(21)19(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,14,20,13,15,19,21,12,16,18,22,5,6,11,17,8,10,2,9,23,7/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(16,17)/CRV:20+1/rA:23nCN+CCCCOCOCCCCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24NO3+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-17.5978
Area:511.206
Solvation:-30.3779
Coulombic:-17.6125
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:314.399
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):-1.66

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Descriptor Annotations

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